General Information of the Compound
| Compound ID |
CP0563494
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| Compound Name |
2-(butylamino)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C10H11F3N4OS
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| Molecular Weight |
292.286
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| Canonical SMILES |
CCCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1
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| InChI |
InChI=1S/C10H11F3N4OS/c1-2-3-4-14-8-16-17-7(18)5-6(10(11,12)13)15-9(17)19-8/h5H,2-4H2,1H3,(H,14,16)
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| InChIKey |
WAIUSCSXQJMCOF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT03662, Intestinal-type alkaline phosphatase